(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-cyclopropyl-p-anisyl-ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C20H23N3O3S/c1-3-26-20(24)18-17(16(10-21)19(22)27-18)12-23(14-6-7-14)11-13-4-8-15(25-2)9-5-13/h4-5,8-9,14H,3,6-7,11-12,22H2,1-2H3/p+1